Content for NMR-STAR saveframe, "chem_shifts_pH5.2_300K"
save_chem_shifts_pH5.2_300K
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shifts_pH5.2_300K
_Assigned_chem_shift_list.Entry_ID 19039
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $300K_d2o_pH5.2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $DSS
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
9 '2D 1H-1H NOESY' . . . 19039 2
13 '2D 1H-13C HSQC aromatic' . . . 19039 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 G H1' H 1 5.865 0.005 . 1 . . . A 1 G H1' . 19039 2
2 . 1 1 1 1 G H2' H 1 4.921 0.005 . 1 . . . A 1 G H2' . 19039 2
3 . 1 1 1 1 G H8 H 1 8.114 0.005 . 1 . . . A 1 G H8 . 19039 2
4 . 1 1 1 1 G C8 C 13 139.523 0.050 . 1 . . . A 1 G C8 . 19039 2
5 . 1 1 2 2 G H1' H 1 5.756 0.005 . 1 . . . A 2 G H1' . 19039 2
6 . 1 1 2 2 G H2' H 1 4.676 0.005 . 1 . . . A 2 G H2' . 19039 2
7 . 1 1 2 2 G H8 H 1 7.655 0.005 . 1 . . . A 2 G H8 . 19039 2
8 . 1 1 2 2 G C8 C 13 137.148 0.050 . 1 . . . A 2 G C8 . 19039 2
9 . 1 1 3 3 A H1' H 1 6.005 0.005 . 1 . . . A 3 A H1' . 19039 2
10 . 1 1 3 3 A H2 H 1 7.588 0.005 . 1 . . . A 3 A H2 . 19039 2
11 . 1 1 3 3 A H2' H 1 4.990 0.005 . 1 . . . A 3 A H2' . 19039 2
12 . 1 1 3 3 A H3' H 1 4.803 0.005 . 1 . . . A 3 A H3' . 19039 2
13 . 1 1 3 3 A H8 H 1 7.922 0.005 . 1 . . . A 3 A H8 . 19039 2
14 . 1 1 3 3 A C2 C 13 153.757 0.050 . 1 . . . A 3 A C2 . 19039 2
15 . 1 1 3 3 A C8 C 13 139.586 0.050 . 1 . . . A 3 A C8 . 19039 2
16 . 1 1 4 4 G H1' H 1 5.943 0.005 . 1 . . . A 4 G H1' . 19039 2
17 . 1 1 4 4 G H2' H 1 4.633 0.005 . 1 . . . A 4 G H2' . 19039 2
18 . 1 1 4 4 G H8 H 1 7.723 0.005 . 1 . . . A 4 G H8 . 19039 2
19 . 1 1 4 4 G C8 C 13 138.995 0.050 . 1 . . . A 4 G C8 . 19039 2
20 . 1 1 5 5 C H1' H 1 5.668 0.005 . 1 . . . A 5 C H1' . 19039 2
21 . 1 1 5 5 C H2' H 1 4.308 0.005 . 1 . . . A 5 C H2' . 19039 2
22 . 1 1 5 5 C H5 H 1 5.144 0.005 . 1 . . . A 5 C H5 . 19039 2
23 . 1 1 5 5 C H6 H 1 7.750 0.005 . 1 . . . A 5 C H6 . 19039 2
24 . 1 1 5 5 C C6 C 13 141.524 0.050 . 1 . . . A 5 C C6 . 19039 2
25 . 1 1 6 6 C H1' H 1 5.437 0.005 . 1 . . . A 6 C H1' . 19039 2
26 . 1 1 6 6 C H2' H 1 4.550 0.005 . 1 . . . A 6 C H2' . 19039 2
27 . 1 1 6 6 C H5 H 1 5.404 0.005 . 1 . . . A 6 C H5 . 19039 2
28 . 1 1 6 6 C H6 H 1 7.689 0.005 . 1 . . . A 6 C H6 . 19039 2
29 . 1 1 6 6 C C6 C 13 140.855 0.050 . 1 . . . A 6 C C6 . 19039 2
30 . 1 1 7 7 G H1' H 1 5.675 0.005 . 1 . . . A 7 G H1' . 19039 2
31 . 1 1 7 7 G H2' H 1 4.495 0.005 . 1 . . . A 7 G H2' . 19039 2
32 . 1 1 7 7 G H8 H 1 7.565 0.005 . 1 . . . A 7 G H8 . 19039 2
33 . 1 1 7 7 G C8 C 13 136.512 0.050 . 1 . . . A 7 G C8 . 19039 2
34 . 1 1 8 8 U H5 H 1 5.087 0.005 . 1 . . . A 8 U H5 . 19039 2
35 . 1 1 8 8 U H6 H 1 7.663 0.005 . 1 . . . A 8 U H6 . 19039 2
36 . 1 1 8 8 U C6 C 13 141.907 0.050 . 1 . . . A 8 U C6 . 19039 2
37 . 1 1 9 9 A H1' H 1 6.024 0.005 . 1 . . . A 9 A H1' . 19039 2
38 . 1 1 9 9 A H2' H 1 4.649 0.005 . 1 . . . A 9 A H2' . 19039 2
39 . 1 1 10 10 U H1' H 1 5.353 0.005 . 1 . . . A 10 U H1' . 19039 2
40 . 1 1 10 10 U H2' H 1 4.384 0.005 . 1 . . . A 10 U H2' . 19039 2
41 . 1 1 10 10 U H5 H 1 5.393 0.005 . 1 . . . A 10 U H5 . 19039 2
42 . 1 1 10 10 U H6 H 1 7.603 0.005 . 1 . . . A 10 U H6 . 19039 2
43 . 1 1 10 10 U C6 C 13 140.829 0.050 . 1 . . . A 10 U C6 . 19039 2
44 . 1 1 11 11 G H1' H 1 5.737 0.005 . 1 . . . A 11 G H1' . 19039 2
45 . 1 1 11 11 G H2' H 1 4.537 0.005 . 1 . . . A 11 G H2' . 19039 2
46 . 1 1 11 11 G H8 H 1 7.736 0.005 . 1 . . . A 11 G H8 . 19039 2
47 . 1 1 11 11 G C8 C 13 136.620 0.050 . 1 . . . A 11 G C8 . 19039 2
48 . 1 1 12 12 C H1' H 1 5.453 0.005 . 1 . . . A 12 C H1' . 19039 2
49 . 1 1 12 12 C H2' H 1 4.456 0.005 . 1 . . . A 12 C H2' . 19039 2
50 . 1 1 12 12 C H5 H 1 5.210 0.005 . 1 . . . A 12 C H5 . 19039 2
51 . 1 1 12 12 C H6 H 1 7.625 0.005 . 1 . . . A 12 C H6 . 19039 2
52 . 1 1 12 12 C C6 C 13 140.629 0.050 . 1 . . . A 12 C C6 . 19039 2
53 . 1 1 13 13 G H1' H 1 5.688 0.005 . 1 . . . A 13 G H1' . 19039 2
54 . 1 1 13 13 G H2' H 1 4.579 0.005 . 1 . . . A 13 G H2' . 19039 2
55 . 1 1 13 13 G H8 H 1 7.607 0.005 . 1 . . . A 13 G H8 . 19039 2
56 . 1 1 13 13 G C8 C 13 136.165 0.050 . 1 . . . A 13 G C8 . 19039 2
57 . 1 1 14 14 G H1' H 1 5.666 0.005 . 1 . . . A 14 G H1' . 19039 2
58 . 1 1 14 14 G H2' H 1 4.511 0.005 . 1 . . . A 14 G H2' . 19039 2
59 . 1 1 14 14 G H8 H 1 7.155 0.005 . 1 . . . A 14 G H8 . 19039 2
60 . 1 1 14 14 G C8 C 13 135.973 0.050 . 1 . . . A 14 G C8 . 19039 2
61 . 1 1 15 15 U H1' H 1 5.582 0.005 . 1 . . . A 15 U H1' . 19039 2
62 . 1 1 15 15 U H2' H 1 4.376 0.005 . 1 . . . A 15 U H2' . 19039 2
63 . 1 1 15 15 U H5 H 1 5.456 0.005 . 1 . . . A 15 U H5 . 19039 2
64 . 1 1 15 15 U H6 H 1 7.585 0.005 . 1 . . . A 15 U H6 . 19039 2
65 . 1 1 15 15 U C6 C 13 141.408 0.050 . 1 . . . A 15 U C6 . 19039 2
66 . 1 1 16 16 A H1' H 1 5.752 0.005 . 1 . . . A 16 A H1' . 19039 2
67 . 1 1 16 16 A H2 H 1 7.964 0.005 . 1 . . . A 16 A H2 . 19039 2
68 . 1 1 16 16 A H2' H 1 4.589 0.005 . 1 . . . A 16 A H2' . 19039 2
69 . 1 1 16 16 A H8 H 1 8.210 0.005 . 1 . . . A 16 A H8 . 19039 2
70 . 1 1 16 16 A C2 C 13 152.143 0.050 . 1 . . . A 16 A C2 . 19039 2
71 . 1 1 16 16 A C8 C 13 142.236 0.050 . 1 . . . A 16 A C8 . 19039 2
72 . 1 1 17 17 G H1' H 1 5.596 0.005 . 1 . . . A 17 G H1' . 19039 2
73 . 1 1 17 17 G H2' H 1 4.666 0.005 . 1 . . . A 17 G H2' . 19039 2
74 . 1 1 17 17 G H8 H 1 7.747 0.005 . 1 . . . A 17 G H8 . 19039 2
75 . 1 1 17 17 G C8 C 13 140.231 0.050 . 1 . . . A 17 G C8 . 19039 2
76 . 1 1 18 18 U H1' H 1 6.021 0.005 . 1 . . . A 18 U H1' . 19039 2
77 . 1 1 18 18 U H2' H 1 4.431 0.005 . 1 . . . A 18 U H2' . 19039 2
78 . 1 1 18 18 U H5 H 1 5.906 0.005 . 1 . . . A 18 U H5 . 19039 2
79 . 1 1 18 18 U H6 H 1 7.808 0.005 . 1 . . . A 18 U H6 . 19039 2
80 . 1 1 18 18 U C6 C 13 143.906 0.050 . 1 . . . A 18 U C6 . 19039 2
81 . 1 1 19 19 U H1' H 1 5.782 0.005 . 1 . . . A 19 U H1' . 19039 2
82 . 1 1 19 19 U H2' H 1 4.473 0.005 . 1 . . . A 19 U H2' . 19039 2
83 . 1 1 19 19 U H5 H 1 5.872 0.005 . 1 . . . A 19 U H5 . 19039 2
84 . 1 1 19 19 U H6 H 1 7.865 0.005 . 1 . . . A 19 U H6 . 19039 2
85 . 1 1 19 19 U C6 C 13 143.922 0.050 . 1 . . . A 19 U C6 . 19039 2
86 . 1 1 20 20 C H1' H 1 5.596 0.005 . 1 . . . A 20 C H1' . 19039 2
87 . 1 1 20 20 C H2' H 1 4.457 0.005 . 1 . . . A 20 C H2' . 19039 2
88 . 1 1 20 20 C H5 H 1 5.881 0.005 . 1 . . . A 20 C H5 . 19039 2
89 . 1 1 20 20 C H6 H 1 7.960 0.005 . 1 . . . A 20 C H6 . 19039 2
90 . 1 1 20 20 C C6 C 13 142.692 0.050 . 1 . . . A 20 C C6 . 19039 2
91 . 1 1 21 21 C H1' H 1 5.516 0.005 . 1 . . . A 21 C H1' . 19039 2
92 . 1 1 21 21 C H2' H 1 4.454 0.005 . 1 . . . A 21 C H2' . 19039 2
93 . 1 1 21 21 C H6 H 1 7.748 0.005 . 1 . . . A 21 C H6 . 19039 2
94 . 1 1 21 21 C C6 C 13 141.191 0.050 . 1 . . . A 21 C C6 . 19039 2
95 . 1 1 22 22 G C8 C 13 136.228 0.050 . 1 . . . A 22 G C8 . 19039 2
96 . 1 1 26 26 G C8 C 13 139.074 0.050 . 1 . . . A 26 G C8 . 19039 2
97 . 1 1 27 27 U H2' H 1 4.473 0.005 . 1 . . . A 27 U H2' . 19039 2
98 . 1 1 28 28 A H1' H 1 5.915 0.005 . 1 . . . A 28 A H1' . 19039 2
99 . 1 1 28 28 A H2' H 1 4.603 0.005 . 1 . . . A 28 A H2' . 19039 2
100 . 1 1 28 28 A H8 H 1 8.284 0.005 . 1 . . . A 28 A H8 . 19039 2
101 . 1 1 28 28 A C8 C 13 140.828 0.050 . 1 . . . A 28 A C8 . 19039 2
102 . 1 1 29 29 C H1' H 1 5.476 0.005 . 1 . . . A 29 C H1' . 19039 2
103 . 1 1 29 29 C H2' H 1 4.392 0.005 . 1 . . . A 29 C H2' . 19039 2
104 . 1 1 29 29 C H5 H 1 5.202 0.005 . 1 . . . A 29 C H5 . 19039 2
105 . 1 1 29 29 C H6 H 1 7.494 0.005 . 1 . . . A 29 C H6 . 19039 2
106 . 1 1 29 29 C C6 C 13 140.461 0.050 . 1 . . . A 29 C C6 . 19039 2
107 . 1 1 30 30 G H1' H 1 5.720 0.005 . 1 . . . A 30 G H1' . 19039 2
108 . 1 1 30 30 G H2' H 1 4.644 0.005 . 1 . . . A 30 G H2' . 19039 2
109 . 1 1 30 30 G H8 H 1 7.586 0.005 . 1 . . . A 30 G H8 . 19039 2
110 . 1 1 31 31 G H1' H 1 5.721 0.005 . 1 . . . A 31 G H1' . 19039 2
111 . 1 1 31 31 G H2' H 1 4.611 0.005 . 1 . . . A 31 G H2' . 19039 2
112 . 1 1 31 31 G H8 H 1 7.286 0.005 . 1 . . . A 31 G H8 . 19039 2
113 . 1 1 31 31 G C8 C 13 136.562 0.050 . 1 . . . A 31 G C8 . 19039 2
114 . 1 1 32 32 A H1' H 1 6.024 0.005 . 1 . . . A 32 A H1' . 19039 2
115 . 1 1 32 32 A H2 H 1 8.216 0.005 . 1 . . . A 32 A H2 . 19039 2
116 . 1 1 32 32 A H2' H 1 4.526 0.005 . 1 . . . A 32 A H2' . 19039 2
117 . 1 1 32 32 A H8 H 1 8.001 0.005 . 1 . . . A 32 A H8 . 19039 2
118 . 1 1 32 32 A C2 C 13 147.130 0.050 . 1 . . . A 32 A C2 . 19039 2
119 . 1 1 32 32 A C8 C 13 142.495 0.050 . 1 . . . A 32 A C8 . 19039 2
120 . 1 1 33 33 U H1' H 1 5.596 0.005 . 1 . . . A 33 U H1' . 19039 2
121 . 1 1 33 33 U H2' H 1 4.358 0.005 . 1 . . . A 33 U H2' . 19039 2
122 . 1 1 33 33 U H5 H 1 5.147 0.005 . 1 . . . A 33 U H5 . 19039 2
123 . 1 1 33 33 U H6 H 1 7.773 0.005 . 1 . . . A 33 U H6 . 19039 2
124 . 1 1 33 33 U C6 C 13 142.365 0.050 . 1 . . . A 33 U C6 . 19039 2
125 . 1 1 34 34 C H1' H 1 5.642 0.005 . 1 . . . A 34 C H1' . 19039 2
126 . 1 1 34 34 C H2' H 1 4.312 0.005 . 1 . . . A 34 C H2' . 19039 2
127 . 1 1 34 34 C H5 H 1 5.573 0.005 . 1 . . . A 34 C H5 . 19039 2
128 . 1 1 34 34 C H6 H 1 7.796 0.005 . 1 . . . A 34 C H6 . 19039 2
129 . 1 1 34 34 C C6 C 13 141.673 0.050 . 1 . . . A 34 C C6 . 19039 2
130 . 1 1 35 35 U H1' H 1 5.701 0.005 . 1 . . . A 35 U H1' . 19039 2
131 . 1 1 35 35 U H2' H 1 3.982 0.005 . 1 . . . A 35 U H2' . 19039 2
132 . 1 1 35 35 U H5 H 1 5.589 0.005 . 1 . . . A 35 U H5 . 19039 2
133 . 1 1 35 35 U H6 H 1 7.764 0.005 . 1 . . . A 35 U H6 . 19039 2
stop_
save_